data_global
_chemical_name_mineral 'Crocoite'
loop_
_publ_author_name
'Bandiello E'
'Errandonea D'
'Martinez-Garcia D'
'Santamaria-Perez D'
'Manjon F J'
_journal_name_full 'Physical Review'
_journal_volume B85 
_journal_year 2012
_journal_page_first 024108
_journal_page_last 10
_publ_section_title
;
 Effects of high-pressure on the structural, vibrational, and electronic
 properties of monzanite-type PbCrO4
;
_database_code_amcsd 0020242
_chemical_compound_source 'Red Lead mine, Dundas, Tasmania, Australia'
_chemical_formula_sum '(Pb.997 Fe.003) Cr O4'
_cell_length_a 7.098
_cell_length_b 7.410
_cell_length_c 6.779
_cell_angle_alpha 90
_cell_angle_beta 102.4
_cell_angle_gamma 90
_cell_volume 348.232
_exptl_crystal_density_diffrn      6.156
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb   0.22470   0.15150   0.40440   0.99700
Fe   0.22470   0.15150   0.40440   0.00300
Cr   0.19840   0.16430   0.88450   1.00000
O1   0.25610   0.00470   0.05680   1.00000
O2   0.12010   0.34150  -0.00570   1.00000
O3   0.02740   0.10470   0.68580   1.00000
O4   0.38590   0.21520   0.78720   1.00000